2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione

C15H10ClFN2O2S — CID 25125458

IUPAC2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2cccc(Cl)c2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-11-2-1-3-13(8-11)19-14(20)18(15(21)22-19)9-10-4-6-12(17)7-5-10/h1-8H,9H2
InChIKeyXWJFVSPYHJYTNK-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.90
Rot. Bonds3

About 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione

2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 25125458) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID25125458
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC Name2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2cccc(Cl)c2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-11-2-1-3-13(8-11)19-14(20)18(15(21)22-19)9-10-4-6-12(17)7-5-10/h1-8H,9H2
InChIKeyXWJFVSPYHJYTNK-UHFFFAOYSA-N
XLogP2.90
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (CID 25125458) is 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2cccc(Cl)c2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is XWJFVSPYHJYTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c16-11-2-1-3-13(8-11)19-14(20)18(15(21)22-19)9-10-4-6-12(17)7-5-10/h1-8H,9H2.
What are the key properties of 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 336.78 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 25125458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).